![1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one structure](/static/products/371/371929-82-7.png)
1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
TL;DR: 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 371929-82-7) is a chemical compound with molecular formula C19H15ClN4O2S2 and molecular weight 430.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one
Also Known As: 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C19H15ClN4O2S2 |
|---|---|
| Molecular Weight | 430.03 g/mol |
| LogP | 3.7598 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0325 |
| Heavy Atoms | 28 |
| Complexity | 1303.9531 |
Chemical Identifiers
| CAS Number | 371929-82-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(N3C1=NN=C3SCC(=O)C4=CC=C(C=C4)Cl)SC5=C2CCC5 |
Product Overview
1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 371929-82-7), with molecular formula C19H15ClN4O2S2 and molecular weight 430.03 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one.
Chemical Property Profile of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Property Insights of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
The XLogP value of 3.7598 indicates that 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one. Following Lipinski's Rule of Five, 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The CAS number of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 371929-82-7.
What is the molecular formula of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular formula of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is C19H15ClN4O2S2.
What is the molecular weight of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular weight of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 430.03 g/mol.
Where can I buy 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
You can request a quote for 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.